General Information of the Compound
| Compound ID |
CP0496183
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| Compound Name |
(E)-1-[3-[(1R,4R,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-4-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C40H38O9
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| Molecular Weight |
662.735
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| Canonical SMILES |
CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C[C@H](C(C)=C[C@H]2c2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3O)c2O)c2ccc(O)cc2)c1O
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| InChI |
InChI=1S/C40H38O9/c1-21(2)4-12-27-34(44)16-14-29(38(27)47)39(48)32-20-30(23-5-9-25(41)10-6-23)22(3)18-31(32)37-35(45)17-13-28(40(37)49)33(43)15-8-24-7-11-26(42)19-36(24)46/h4-11,13-19,30-32,41-42,44-47,49H,12,20H2,1-3H3/b15-8+/t30-,31-,32-/m1/s1
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| InChIKey |
QUEBGJZJUHNIEI-MLIZRPJVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound